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Chemical ID: 5134324
Chemical ID:
5134324
Name [?]:
N,N-diethyl-2-(phenyl-(p-tolylsulfonyl)amino)-acetamide
SMILES [?]:
CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C19H24N2O3S/c1-4-20(5-2)19(22)15-21(17-9-7-6-8-10-17)25(23,24)18-13-11-16(3)12-14-18/h6-14H,4-5,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,25,2,4,13,12,14,11,15,21,23,20,24,8,22,10,19,6,3,9,7,17,18,16/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(23,24)/CRV:25.6/rA:25cCCNCCCOCNCCCCCCSOOCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s9;d16;d16;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6021 |
Area: | 546.872 |
Solvation: | -3.0697 |
Coulombic: | -25.7644 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 360.472 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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